Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H40N10O13 |
| Molecular Weight | 868.8048 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC(=O)C2=C(NC(=C2CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@]5(CCC4=CC=C(C=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)NC6=C5C(=O)N=C(N)N6)N1
InChI
InChIKey=MYCCYMLLSPAQLR-CGDPJZLSSA-N
InChI=1S/C40H40N10O13/c41-38-47-29-26(33(57)49-38)21(10-5-17-1-6-19(7-2-17)31(55)43-22(35(59)60)11-13-24(51)52)28(45-29)40(27-30(46-37(40)63)48-39(42)50-34(27)58)16-15-18-3-8-20(9-4-18)32(56)44-23(36(61)62)12-14-25(53)54/h1-4,6-9,22-23H,5,10-16H2,(H,43,55)(H,44,56)(H,51,52)(H,53,54)(H,59,60)(H,61,62)(H4,41,45,47,49,57)(H4,42,46,48,50,58,63)/t22-,23-,40+/m0/s1
| Molecular Formula | C40H40N10O13 |
| Molecular Weight | 868.8048 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:15:29 GMT 2025
by
admin
on
Mon Mar 31 23:15:29 GMT 2025
|
| Record UNII |
HJB5G3T2A4
|
| Record Status |
Validated (UNII)
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| Record Version |
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140309529
Created by
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HJB5G3T2A4
Created by
admin on Mon Mar 31 23:15:29 GMT 2025 , Edited by admin on Mon Mar 31 23:15:29 GMT 2025
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1802552-04-0
Created by
admin on Mon Mar 31 23:15:29 GMT 2025 , Edited by admin on Mon Mar 31 23:15:29 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
